4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine

C9H14F2N4O — CID 103151156

IUPAC4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C9H14F2N4O/c1-2-7-13-8(15-9(12)14-7)3-4-16-5-6(10)11/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyVTGHCDHHBWDZON-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.84
Rot. Bonds6

About 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine

4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 103151156) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine
PubChem CID103151156
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CCOCC(F)F)n1
InChIInChI=1S/C9H14F2N4O/c1-2-7-13-8(15-9(12)14-7)3-4-16-5-6(10)11/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyVTGHCDHHBWDZON-UHFFFAOYSA-N
XLogP0.84
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-propoxy-6-(trifluoromethyl)-
CID 10900193
6-[2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 14512671
N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 123308053
4-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 141834652
2-Chloro-4-[2,2-difluoro-2-(2-fluoroethoxy)ethyl]-6-methyl-1,3,5-triazine
CID 157776703
Azane;2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 175232802
4-Butoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 13984521
4-Ethyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63868176
4-Propyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63868469
4-Ethyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964530
4-Propyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964531

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine (CID 103151156) is 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine is CCc1nc(N)nc(CCOCC(F)F)n1.
What is the InChIKey of 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is VTGHCDHHBWDZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-2-7-13-8(15-9(12)14-7)3-4-16-5-6(10)11/h6H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine?
4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 232.23 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).